2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline

C17H21N — CID 54796543

IUPAC2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCc1ccc(NCCc2ccccc2C)c(C)c1
InChIInChI=1S/C17H21N/c1-13-8-9-17(15(3)12-13)18-11-10-16-7-5-4-6-14(16)2/h4-9,12,18H,10-11H2,1-3H3
InChIKeyZTLMTDPOBDUKIJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.27
Rot. Bonds4

About 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline

2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline (PubChem CID 54796543) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
PubChem CID54796543
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
SMILESCc1ccc(NCCc2ccccc2C)c(C)c1
InChIInChI=1S/C17H21N/c1-13-8-9-17(15(3)12-13)18-11-10-16-7-5-4-6-14(16)2/h4-9,12,18H,10-11H2,1-3H3
InChIKeyZTLMTDPOBDUKIJ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
3-bromo-4-[2-(2-methylphenyl)ethylamino]benzonitrile
CID 82798535
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 79756339
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline (CID 54796543) is 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline is Cc1ccc(NCCc2ccccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline?
The InChIKey is ZTLMTDPOBDUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13-8-9-17(15(3)12-13)18-11-10-16-7-5-4-6-14(16)2/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline?
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline has a molecular weight of 239.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 54796543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).